SCHEMBL7235100

SCHEMBL7235100

O=CCCCc1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
CALM1 P0DP23 2/20 0.55
HDAC1 Q13547 3/20 0.54
HDAC3 O15379 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
TRPV1 Q8NER1 2/20 0.50
CMA1 P23946 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL230807 0.95 HDAC1 (0.57) TAAR1CALM1HDAC1HDAC3HDAC6
SCHEMBL27611447 0.94 HDAC1 (0.56) TAAR1CALM1HDAC1HDAC3HDAC6
SCHEMBL27559672 0.91 HDAC1 (0.54) TAAR1CALM1HDAC1HDAC3HDAC6
SCHEMBL869843 0.90 TAAR1 (0.61) TAAR1CALM1HDAC1HDAC3HDAC6
SCHEMBL108050 0.84 CALM1 (0.72) TAAR1CALM1HDAC1HDAC3HDAC6
SCHEMBL8075978 0.83 CYP1A2 (0.65) TAAR1CALM1HDAC1HDAC3HDAC6
SCHEMBL5073586 0.83 HDAC1 (0.53) TAAR1CALM1HDAC1HDAC3HDAC6
SCHEMBL9706198 0.81 TAAR1 (0.51) TAAR1CALM1CYP1A2CYP3A4MAPT
SCHEMBL30194501 0.80 CYP3A4 (0.70) TAAR1CYP1A2CYP3A4MAPTCMA1
SCHEMBL406700 0.80 CYP3A4 (0.70) TAAR1CYP1A2CYP3A4MAPTCMA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119662220-A Cooling liquid and preparation method thereof 清华大学 2025-03-21 CN claimed
CN-117982699-A Vehicle-mounted fragrance and preparation method thereof 广州汽车集团股份有限公司 2024-05-07 CN claimed
CN-117430580-A Preparation method of piperonyl propionaldehyde 格林生物科技股份有限公司 2024-01-23 CN claimed
CN-117024304-A Preparation method of N ', N' -diaryl hydrazide compound 赣南师范大学 2023-11-10 CN claimed
CN-113522294-B Ni-based catalyst, preparation method thereof and application thereof in reductive amination 中国科学院青岛生物能源与过程研究所 2023-08-29 CN claimed
CN-111116375-B Method for preparing primary amine by catalyzing aldehyde ketone compound through reductive amination 中国科学院广州能源研究所 2023-04-07 CN claimed
CN-115888566-A Preparation method of helional 江西嘉源香料有限公司 2023-04-04 CN claimed
CN-113522294-A Ni-based catalyst, preparation method thereof and application thereof in reductive amination 中国科学院青岛生物能源与过程研究所 2021-10-22 CN claimed
CN-211612706-U Safety reaction tank is used in production of piperonyl propionaldehyde 福建仁宏医药化工有限公司 2020-10-02 CN claimed
CN-111116375-A Method for preparing primary amine by catalyzing aldehyde ketone compound through reductive amination 中国科学院广州能源研究所 2020-05-08 CN claimed
CN-104125847-B Perfume composition and application thereof 弗门尼舍有限公司 2017-09-08 CN claimed
CN-104114147-B Perfume composition and uses thereof FIRMENICH S.A. (CH) 2016-04-13 CN claimed
CN-103501601-B Smoke-type volatilizing agent, smoke-type space treatment device and space treatment method LION CORP. (JP) 2016-01-20 CN claimed
CN-104161706-A Perfume with refreshing effect SHINAN BRANCH QINGDAO BLUE PRINT CULTURE TRANSMISSION CO LTD 2014-11-26 CN claimed
CN-103501601-A Smoke-type volatilizing agent, smoke-type space treatment device and space treatment method LION CORP 2014-01-08 CN claimed
CN-1365962-A Process for preparing piperonyl propionaldehyde GELIN PERFUME CHEMISTRY CO LTD (CN) 2002-08-28 CN claimed
EP-0477747-B1 Process for the preparation of an odorant HOECHST AG (DE) 1994-02-09 EP claimed
EP-0477747-A1 Process for the preparation of an odorant HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-01 EP claimed
CN-117430580-B Preparation method of piperonyl propionaldehyde 格林生物科技股份有限公司 2025-09-26 CN disclosed
US-4419282-A N,N-Dimethyloctanamide fragrances RHONE-POULENC INDUSTRIES (FR) 1983-12-06 US disclosed