SCHEMBL9252285

SCHEMBL9252285

CC(C)(C)c1cc(Oc2cc(C(C)(C)C)cc(C(=O)O)c2O)c(O)c(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 4/20 0.45
AKR1C1 Q04828 3/20 0.45
RXRB P28702 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
AKR1C3 P42330 3/20 0.39
AKR1C4 P17516 2/20 0.39
GLRA3 O75311 1/20 0.39
GLRB P48167 1/20 0.39
RXRA P19793 2/20 0.39
RXRG P48443 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
CYP2C19 P33261 1/20 0.37
CD69 Q07108 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL11755343 0.92 GLRA3 (0.45) AKR1C2AKR1C1RXRBTDP1AKR1C3
SCHEMBL19193948 0.87 GLRA3 (0.44) AKR1C2AKR1C1RXRBTDP1AKR1C3
SCHEMBL28717119 0.85 AKR1C2 (0.53) AKR1C2AKR1C1RXRBTDP1AKR1C3
SCHEMBL9250668 0.82 ALDH1A1 (0.43) AKR1C2AKR1C1TDP1AKR1C3KDM4E
SCHEMBL12476701 0.80 NR5A2 (0.54) AKR1C2AKR1C1RXRBTDP1GLRA3
SCHEMBL3807152 0.79 HMGB1 (0.56) AKR1C2AKR1C1RXRBTDP1GLRA3
SCHEMBL11756982 0.79 AKR1C2 (0.49) AKR1C2AKR1C1RXRBTDP1GLRA3
SCHEMBL132940 0.78 NR5A2 (0.55) AKR1C2AKR1C1RXRBTDP1GLRA3
SCHEMBL10943232 0.78 HMGB1 (0.55) AKR1C2AKR1C1RXRBTDP1AKR1C3
SCHEMBL11561649 0.78 AKR1C2 (0.47) AKR1C2AKR1C1RXRBTDP1AKR1C3

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
EP-0338808-B1 Alkyl salicylate resin for carbonless copy paper and imaging use SCHENECTADY INT INC (US) 1995-08-23 EP disclosed
US-5017546-A Metallized phenolic resins SCHENECTADY INTERNATIONAL, INC. 1991-05-21 US disclosed
EP-0338808-A2 Alkyl salicylate resin for carbonless copy paper and imaging use SCHENECTADY INTERNATIONAL, INC. (US) 1989-10-25 EP disclosed
US-4134847-A HOMOGENIZING AN AROMATIC CARBOXYLIC ACID-POLYMER-METAL CARBONATE OR OXIDE MELT KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1979-01-16 US disclosed
US-4046941-A PRESSURE SENSITIVE COPYING SANKO CHEMICAL COMPANY LTD. (JA) 1977-09-06 US disclosed