SCHEMBL9297983

SCHEMBL9297983

CCc1cc(Sc2cc(C)c(O)c(CC)c2)cc(C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SHBG P04278 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34
MAOA P21397 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
SCHEMBL2678101 0.87 GABRA1 (0.48) MAPTALDH1A1HTTESR1ESR2
SCHEMBL4584092 0.81 TYR (0.41) MAPTALDH1A1HTTSHBGESR1
SCHEMBL70958 0.79 CA1 (0.55) MAPTALDH1A1HTTESR1ESR2
SCHEMBL9745295 0.78 ALOX5 (0.46) MAPTHTTESR1ALOX5PTGS2
SCHEMBL10894181 0.78 ALOX5 (0.46) MAPTHTTESR1ALOX5PTGS2
SCHEMBL10894467 0.78 ALOX5 (0.46) MAPTHTTESR1ALOX5PTGS2
SCHEMBL20102183 0.78 DHFR (0.43) ALDH1A1HTTGABRA1GABRB2ALOX5
SCHEMBL10977917 0.76 NR1H2 (0.44) MAPTALDH1A1HTTSHBGESR1
SCHEMBL9749694 0.76 CA1 (0.59) MAPTALDH1A1SHBGESR1ESR2
SCHEMBL70083 0.76 CYP3A4 (0.42) ALDH1A1SHBGESR1ESR2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5281570-A Heat sensitive sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-01-25 US disclosed
EP-0141096-A1 Polyarylate compositions GENERAL ELECTRIC COMPANY (US) 1985-05-15 EP disclosed
EP-0133658-A2 Flame retardant non-dripping polycarbonate compositions GENERAL ELECTRIC COMPANY (US) 1985-03-06 EP disclosed
US-4490504-A CONTAINING GLASS FIBERS, DIHYDRIC PHENOLS, AND THIUODIPHENOLS GENERAL ELECTRIC COMPANY (US) 1984-12-25 US disclosed
US-4477647-A FIREPROOF ENGINEERING THERMOPLASTICS GENERAL ELECTRIC COMPANY (US) 1984-10-16 US disclosed