SCHEMBL9737342

SCHEMBL9737342

C=CCc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(CC=C)cc4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 8/20 0.54
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP2 P08253 1/20 0.45
XDH P47989 1/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP16 Q8N5Y8 1/20 0.42
PARP11 Q9NR21 1/20 0.42
PARP4 Q9UKK3 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 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
SCHEMBL1081804 0.89 CYP1A2 (0.47) SRD5A2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL88416 0.84 ALDH1A1 (0.68) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL9352993 0.84 ALDH1A1 (0.68) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL3744646 0.82 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL2793675 0.82 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL28881436 0.82 SRD5A2 (0.44) SRD5A2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL11568621 0.81 SRD5A2 (0.58) SRD5A2ALDH1A1TP53TSHRMAPT
SCHEMBL474925 0.81 ALDH1A1 (0.57) SRD5A2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL8329694 0.80 ALDH1A1 (0.59) SRD5A2ALDH1A1TP53CYP3A4ALOX15
SCHEMBL21479189 0.80 PTGS1 (0.65) ALDH1A1CYP3A4SMN1; SMN2MAPTKMT2A

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-5145926-A Poly(indane ethers) ALLIED-SIGNAL INC. (US) 1992-09-08 US disclosed