SCHEMBL9861536

SCHEMBL9861536

CCC(c1ccccc1O)C(O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
HKDC1 Q2TB90 1/20 0.44
POLB P06746 2/20 0.42
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 2/20 0.40
ESR1 P03372 1/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
AR P10275 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2C9 P11712 1/20 0.40
DRD1 P21728 1/20 0.40

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
SCHEMBL983639 0.85 TSHR (0.67) TSHRGABRA1GABRB2HKDC1POLB
SCHEMBL12610425 0.80 TSHR (0.65) TSHRGABRA1GABRB2HKDC1POLB
SCHEMBL30295406 0.80 TSHR (0.65) TSHRGABRA1GABRB2HKDC1POLB
SCHEMBL2990957 0.80 TSHR (0.65) TSHRGABRA1GABRB2HKDC1POLB
SCHEMBL6252337 0.79 TSHR (0.58) TSHRGABRA1GABRB2HKDC1POLB
SCHEMBL296591 0.77 TSHR (0.68) TSHRGABRA1GABRB2HKDC1POLB
SCHEMBL282162 0.77 TSHR (1.00) TSHRGABRA1GABRB2HKDC1POLB
SCHEMBL20721726 0.77 TSHR (1.00) TSHRGABRA1GABRB2HKDC1POLB
SCHEMBL282881 0.77 TSHR (0.68) TSHRGABRA1GABRB2HKDC1POLB
SCHEMBL29860994 0.77 TSHR (0.68) TSHRGABRA1GABRB2HKDC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0032062-B2 HIGH-MOLECULAR-WEIGHT NOVOLAK SUBSTITUTED PHENOLIC RESINS AND THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-10-16 EP disclosed
EP-0032062-B1 HIGH-MOLECULAR-WEIGHT NOVOLAK SUBSTITUTED PHENOLIC RESINS AND THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-04-03 EP disclosed
US-4345054-A High-molecular-weight novolak types substituted phenolic resins and process for preparation thereof MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-08-17 US disclosed
EP-0032062-A2 High-molecular-weight novolak substituted phenolic resins and their preparation MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-07-15 EP disclosed