SCHEMBL22459300

SCHEMBL22459300

CCC(C)(C)c1ccc(C(=O)c2ccc(C(C)(CC)CC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 3/20 0.47
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ ELANE P08246 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38

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
SCHEMBL12907225 0.87 SRD5A2 (0.63) SRD5A2NPC1RAB9APOLBCYP2C9
SCHEMBL12943147 0.85 ALDH1A1 (0.59) SRD5A2NPC1RAB9ASIRT1ESR1
SCHEMBL17472307 0.85 ALDH1A1 (0.59) SRD5A2NPC1RAB9APOLBCYP2C9
SCHEMBL19002400 0.84 LTA4H (0.47) SRD5A2NPC1RAB9APOLBCYP2C9
SCHEMBL19339482 0.82 ELANE (0.49) SRD5A2NPC1RAB9APOLBCYP2C9
SCHEMBL14421372 0.81 LMNA (0.55) NPC1RAB9APOLBCYP2C9ELANE
SCHEMBL12943145 0.81 ALDH1A1 (0.53) SRD5A2NPC1RAB9ASIRT1MAPT
SCHEMBL13703526 0.81 LMNA (0.55) NPC1RAB9AELANEMAPTLMNA
SCHEMBL14350839 0.80 SRD5A2 (0.42) SRD5A2NPC1RAB9ASIRT1ESR1
SCHEMBL1261173 0.79 MEN1 (0.59) SRD5A2ESR1ESR2ALDH1A1MEN1

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-11220583-B2 Block copolymer, ion-exchange membrane and method of preparing block copolymer KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2022-01-11 — — US disclosed
US-20200299475-A1 BLOCK COPOLYMER, ION-EXCHANGE MEMBRANE AND METHOD OF PREPARING BLOCK COPOLYMER KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2020-09-24 — — US disclosed
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