SCHEMBL8918241

SCHEMBL8918241

CCCCCc1ccc(C#CC2C(O)C3CCN2CC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 10/20 0.45
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP13 P45452 2/20 0.40
SPHK2 Q9NRA0 8/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
S1PR4 O95977 2/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR5 Q9H228 2/20 0.38
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37

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
SCHEMBL8421925 0.86 FFAR1 (0.34) SPHK1LMNAKDM4EALDH1A1CHRM5
SCHEMBL8707234 0.73 HRH3 (0.37) KDM4ETP53
SCHEMBL8920052 0.72 KMT2A (0.53) LMNATSHRKDM4EALDH1A1CYP3A4
SCHEMBL9328232 0.70 HSD17B10 (0.61) LMNAHSD17B10TSHRESR1ADRA2A
SCHEMBL8433963 0.70 HSD17B10 (0.61) LMNAHSD17B10TSHRESR1ADRA2A
SCHEMBL9497770 0.69 FFAR1 (0.48) SPHK1MMP2MMP9MMP8MMP13
SCHEMBL9497780 0.69 FFAR1 (0.48) SPHK1MMP2MMP9MMP8MMP13
SCHEMBL9497787 0.69 FFAR1 (0.48) SPHK1MMP2MMP9MMP8MMP13
SCHEMBL9496811 0.68 FFAR1 (0.47) SPHK1MMP2MMP9MMP8MMP13
SCHEMBL9496944 0.68 FFAR1 (0.47) SPHK1LMNAHSD17B10TSHRESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US claimed
US-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US disclosed