SCHEMBL9577895

SCHEMBL9577895

CCc1cccc(C(C)(C)c2cccc(CC)c2O)c1O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.67
GABRB2 P47870 6/20 0.67
CA2 P00918 1/20 0.48
HSPA5 P11021 1/20 0.40
ATM Q13315 1/20 0.39
IAPP P10997 3/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTPN5 P54829 1/20 0.36
DAO P14920 2/20 0.36
DDO Q99489 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL57139 0.87 GABRA1 (0.67) GABRA1GABRB2CA2HSPA5ATM
Propane SCHEMBL28225674 0.85 GABRA1 (0.64) GABRA1GABRB2CA2HSPA5ATM
SCHEMBL56747 0.83 GABRA1 (0.61) GABRA1GABRB2CA2HSPA5ATM
SCHEMBL27940963 0.83 GABRA1 (0.45) GABRA1GABRB2CA2HSPA5ATM
SCHEMBL199730 0.81 GABRA1 (1.00) GABRA1GABRB2CA2IAPPPTPN5
SCHEMBL9861604 0.81 GABRA1 (0.64) GABRA1GABRB2CA2ATMALDH1A1
SCHEMBL2914640 0.80 GABRA1 (0.57) GABRA1GABRB2CA2HSPA5ATM
SCHEMBL8678918 0.80 GABRA1 (0.50) GABRA1GABRB2CA2HSPA5TSHR
SCHEMBL16105766 0.79 GABRA1 (0.48) GABRA1GABRB2ALDH1A1TSHRTDP1
SCHEMBL11119930 0.79 GABRA1 (0.59) GABRA1GABRB2CA2ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5196492-A Aliphatic polyol reduces coloring, colorless and dyeable, ophthalmic lenses ENICHEM SYNTHESIS S.P.A. (IT) 1993-03-23 US claimed