SCHEMBL8978552

SCHEMBL8978552

C#CC(O)(c1ccc(OC)cc1)c1ccc2c(c1)CC(C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MTNR1A P48039 2/20 0.34
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 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
SCHEMBL6168470 0.78 MEN1 (0.41) ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL10106909 0.76 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2RAB9AKDM4EALOX15
SCHEMBL13799417 0.76 HRH3 (0.54) TDP1POLBGABRA1GABRB2ALDH1A1
SCHEMBL25954061 0.76 ELANE (0.46) TDP1ALDH1A1SMN1; SMN2ALOX15LMNA
SCHEMBL164160 0.76 ELANE (0.46) TDP1ALDH1A1SMN1; SMN2ALOX15LMNA
SCHEMBL25954066 0.73 ELANE (0.40) TDP1ALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL9114928 0.73 TDP1 (0.40) TDP1POLBGABRA1GABRB2ALDH1A1
SCHEMBL7816085 0.72 KDM4E (0.42) ALDH1A1KDM4ECLK1DYRK1ADYRK1B
SCHEMBL25954105 0.71 ESR2 (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL25954134 0.71 ELANE (0.42) TDP1ALDH1A1SMN1; SMN2RAB9AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5573712-A PHOTOCHROMIC ARTICLE COMPRISING ORGANIC HOST AND THE PHOTOCHROMIC NAPHTHOPYRAN TRANSITIONS OPTICAL, INC. (US) 1996-11-12 US disclosed
US-5552090-A Photochromic naphthopyran compounds PPG INDUSTRIES, INC. (US) 1996-09-03 US disclosed
US-5458814-A Ophthalmic lenses TRANSITIONS OPTICAL, INC. (US) 1995-10-17 US disclosed