SCHEMBL9249295

SCHEMBL9249295

CC(C)(c1ccccc1)c1ccc(C(C)(C)c2cc(C(=O)O)c(O)c(-c3ccccc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.58
AKR1C2 P52895 5/20 0.55
AKR1C1 Q04828 5/20 0.55
AKR1C3 P42330 2/20 0.55
PTPN6 P29350 3/20 0.54
PTPN2 P17706 2/20 0.54
HNF4A P41235 1/20 0.49
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
CNR1 P21554 4/20 0.46
CNR2 P34972 4/20 0.46
AKR1C4 P17516 1/20 0.42
MCL1 Q07820 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 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
SCHEMBL313198 0.98 PTPN1 (0.59) PTPN1AKR1C2AKR1C1AKR1C3PTPN6
SCHEMBL9014936 0.97 PTPN1 (0.54) PTPN1AKR1C2AKR1C1AKR1C3PTPN6
SCHEMBL7090683 0.97 PTPN1 (0.58) PTPN1AKR1C2AKR1C1AKR1C3PTPN6
SCHEMBL11342008 0.96 PTPN1 (0.53) PTPN1AKR1C2AKR1C1AKR1C3PTPN6
SCHEMBL9003457 0.86 KDM4E (0.47) PTPN1AKR1C2AKR1C1AKR1C3PTPN6
SCHEMBL9247600 0.86 PTPN1 (0.63) PTPN1AKR1C2AKR1C1AKR1C3PTPN6
SCHEMBL11776523 0.86 PTPN1 (0.44) PTPN1AKR1C2AKR1C1AKR1C3PTPN6
Zinc Ion SCHEMBL7090677 0.86 PTPN1 (0.44) PTPN1AKR1C2AKR1C1AKR1C3PTPN6
Zinc Ion SCHEMBL11341982 0.85 ESR1 (0.42) PTPN1AKR1C2AKR1C1AKR1C3PTPN6
SCHEMBL1129446 0.81 ALDH1A1 (0.49) PTPN1AKR1C2AKR1C1ESR1ESR2

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
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