SCHEMBL9561650

SCHEMBL9561650

C=CCCC(=O)OCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
NAAA Q02083 1/20 0.58
DGKA P23743 1/20 0.58
HTR2C P28335 1/20 0.56
RAD52 P43351 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
FAAH O00519 2/20 0.49
DNM1 Q05193 1/20 0.49
HPGD P15428 1/20 0.47
MGLL Q99685 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
EPHX1 P07099 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
CNR1 P21554 1/20 0.45

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
SCHEMBL10942812 1.00 TSHR (0.59) TSHRNAAADGKAHTR2CRAD52
SCHEMBL7557773 0.98 TSHR (0.56) TSHRNAAADGKAHTR2CRAD52
SCHEMBL514195 0.93 TSHR (0.55) TSHRNAAADGKAHTR2CRAD52
SCHEMBL6421545 0.91 TSHR (0.62) TSHRNAAADGKAHTR2CRAD52
SCHEMBL31245910 0.91 TSHR (0.62) TSHRNAAADGKAHTR2CRAD52
SCHEMBL11445728 0.91 TSHR (0.62) TSHRNAAADGKAHTR2CRAD52
SCHEMBL3127343 0.90 TSHR (0.65) TSHRNAAADGKAHTR2CPRSS1
SCHEMBL18957515 0.90 TSHR (0.65) TSHRNAAADGKAHTR2CPRSS1
SCHEMBL1856268 0.90 TSHR (0.65) TSHRNAAADGKAHTR2CPRSS1
SCHEMBL11325730 0.90 TSHR (0.65) TSHRNAAADGKAHTR2CPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN disclosed
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
WO-2017135898-A1 PROCESS FOR PREPARING MONO AND DICARBOXYLIC ACIDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-08-10 WO disclosed
US-5189182-A Catalytic cyclization BASF AKTIENGESELLSCHAFT (DE) 1993-02-23 US disclosed
EP-0306875-A2 Process for the preparation of 5-methyl butyrolactone BASF Aktiengesellschaft (DE) 1989-03-15 EP disclosed
US-4323676-A Process for preparing cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-04-06 US disclosed
US-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 US disclosed