SCHEMBL8050006

SCHEMBL8050006

Oc1cccc2cccc-2c1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 15/20 0.94
HSD17B2 P37059 13/20 0.94
CYP3A4 P08684 3/20 0.94
CYP2C9 P11712 2/20 0.94
ESR1 P03372 3/20 0.65
ESR2 Q92731 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2B6 P20813 1/20 0.65
CYP2C19 P33261 1/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
CA12 O43570 1/20 0.65
ALDH1A1 P00352 1/20 0.65
CA2 P00918 1/20 0.65
LMNA P02545 1/20 0.65
CA5A P35218 1/20 0.65
CA9 Q16790 1/20 0.65
HSD17B10 Q99714 1/20 0.65
CA14 Q9ULX7 1/20 0.65

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
SCHEMBL7898375 0.97 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL69369 0.97 HSD17B1 (0.88) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL29551999 0.97 HSD17B1 (0.88) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL51869 0.94 HSD17B1 (0.84) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL29356013 0.94 HSD17B1 (0.84) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
Ammonia Solution, Strong SCHEMBL28150307 0.94 HSD17B1 (0.83) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL14973515 0.92 HSD17B1 (0.80) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL29404406 0.92 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL70625 0.92 HSD17B1 (1.00) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL28704509 0.92 HSD17B1 (0.80) HSD17B1HSD17B2CYP3A4CYP2C9ESR1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115044407-A Aralia mandshurica volatile oil and preparation method and application thereof 云南中医药大学 2022-09-13 CN claimed
CN-107073153-A The product of material is reduced comprising stench 宝洁公司 2017-08-18 CN claimed
CN-107001995-A Cleaning and/or treatment compositions comprising malodor reduction composition 宝洁公司 2017-08-01 CN claimed
CN-106714849-A Substrates comprising malodor reduction compositions 宝洁公司 2017-05-24 CN claimed
CN-106687099-A Personal care compositions comprising malodor reduction compositions 宝洁公司 2017-05-17 CN claimed
CN-106687148-A Delivery systems comprising malodor reduction compositions 宝洁公司 2017-05-17 CN claimed
CN-115044407-B White back Shemu volatile oil and preparation method and application thereof 云南中医药大学 2023-10-24 CN disclosed
CN-115044407-B White back Shemu volatile oil and preparation method and application thereof 云南中医药大学 2023-10-24 CN disclosed
CN-115044407-A Aralia mandshurica volatile oil and preparation method and application thereof 云南中医药大学 2022-09-13 CN disclosed
EP-2492988-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Sumitomo Chemical Company, Limited (JP) 2012-08-29 EP disclosed
US-20120199825-A1 ORGANIC ELECTROLUMINESCENT DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-09 US disclosed
CN-1751047-A Triazole compounds useful in therapy PFIZER (US) 2006-03-22 CN disclosed
EP-0820426-B1 SUBSTITUTED DIBENZ[a,f]AZULENES AND METHODS OF PREPARATION ORTHO PHARMA CORP (US) 2000-06-14 EP disclosed
US-5834521-A TREATMENT OF PROGESTIN MEDIATED MALADIES; OSTEOPOROSIS, CANCER ORTHO PHARMACEUTICAL CORPORATION (US) 1998-11-10 US disclosed
EP-0820426-A1 SUBSTITUTED DIBENZ[a,f]AZULENES AND METHODS OF PREPARATION ORTHO PHARMACEUTICAL CORPORATION (US) 1998-01-28 EP disclosed
WO-1996028403-A1 SUBSTITUTED DIBENZ[a,f]AZULENES AND METHODS OF PREPARATION ORTHO PHARMACEUTICAL CORPORATION (US) 1996-09-19 WO disclosed