SCHEMBL9113335

SCHEMBL9113335

COc1ccc(C2(c3ccc(OC)cc3OC)C=Cc3ccccc3C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
DRD2 P14416 6/20 0.34
DRD1 P21728 6/20 0.34
DRD5 P21918 6/20 0.34
DRD3 P35462 6/20 0.34
DRD4 P21917 5/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL9391964 0.84 ACHE (0.38) MAPTLMNACYP1A1CYP1A2CYP1B1
SCHEMBL6536500 0.81 ATM (0.34) LMNAALDH1A1OPRM1OPRL1
SCHEMBL9546931 0.74 MAOA (0.36) LMNARAB9AKMT2A
SCHEMBL7972739 0.73 MAPT (0.43) MAPTALDH1A1RAB9ADRD2DRD4
SCHEMBL6861332 0.73 DRD1 (0.34) MAPTLMNADRD2DRD1DRD5
SCHEMBL6536705 0.71 DRD1 (0.33) MAPTLMNAALDH1A1DRD2DRD1
SCHEMBL7455420 0.71 ACHE (0.37) ALDH1A1OPRM1OPRL1
SCHEMBL6536567 0.69 PARP1 (0.34) CA1CA2
SCHEMBL6689248 0.68 HDAC9 (0.33) ALDH1A1KMT2AOPRM1
SCHEMBL7764690 0.67 MEN1 (0.37) MAPTLMNACYP1A2ALDH1A1RAB9A

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
WO-1995010790-A1 HIGH REFRACTIVE INDEX PHOTOCHROMIC OPHTHALMIC ARTICLE PPG INDUSTRIES, INC. (US) 1995-04-20 WO claimed