SCHEMBL3753776

SCHEMBL3753776

CCCCCCC(CCCC)COC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
CYP3A4 P08684 2/20 0.51
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
ZDHHC7 Q9NXF8 1/20 0.46
CA2 P00918 2/20 0.45
FAAH O00519 2/20 0.44
RECQL P46063 1/20 0.43
PLA2G2C Q5R387 1/20 0.42
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
PRKCA P17252 3/20 0.42

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
SCHEMBL18856287 0.98 PRSS1 (0.51) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL19025418 0.98 PRSS1 (0.51) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL18723036 0.98 PRSS1 (0.51) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL30522611 0.98 PRSS1 (0.51) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL4582699 0.98 PRSS1 (0.51) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL17676317 0.98 PRSS1 (0.51) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL19025446 0.98 PRSS1 (0.51) TSHRCYP3A4ATMTDP1PRSS1
Ammonia Solution, Strong SCHEMBL28600923 0.96 PRSS1 (0.50) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL8516106 0.94 PRSS1 (0.49) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL3859828 0.92 TSHR (0.47) TSHRCYP3A4ATMTDP1PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298432-A1 Cosmetic Compositions Containing Esters of 2-Butyloctanol COGNIS IP MANAGEMENT GMBH (DE) 2010-11-25 US claimed
CN-116615174-B Hair conditioning composition for improving deposition 联合利华知识产权控股有限公司 2026-05-15 CN disclosed
CN-118541137-A Hair conditioning composition for improving deposition 联合利华知识产权控股有限公司 2024-08-23 CN disclosed
CN-118488826-A Hair conditioning composition for improving deposition 联合利华知识产权控股有限公司 2024-08-13 CN disclosed
CN-118401225-A Hair conditioning composition for improving deposition 联合利华知识产权控股有限公司 2024-07-26 CN disclosed
CN-118382419-A Hair conditioning composition for improving deposition 联合利华知识产权控股有限公司 2024-07-23 CN disclosed
CN-116634993-A Hair conditioning composition for improving deposition 联合利华知识产权控股有限公司 2023-08-22 CN disclosed
CN-116615174-A Hair conditioning composition for improving deposition 联合利华知识产权控股有限公司 2023-08-18 CN disclosed
US-9312491-B2 Polymer and photoelectric conversion element JX NIPPON OIL & ENERGY CORPORATION (JP) 2016-04-12 US disclosed