SCHEMBL7748871

SCHEMBL7748871

C=CCOCc1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
HSPA5 P11021 1/20 0.45
KEAP1 Q14145 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
AKR1B1 P15121 1/20 0.39
CYP3A4 P08684 1/20 0.39
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 1/20 0.37
MPO P05164 1/20 0.37
ACHE P22303 1/20 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
SCHEMBL11698533 0.86 CYP3A4 (0.41) IDO1TSHRCYP3A4
2-Allylphenol SCHEMBL10869802 0.83 GABRA1 (0.47) IDO1HSPA5CYP2D6TSHRHIF1A
Salicyl Alcohol SCHEMBL9169997 0.83 HSPA5 (0.43) IDO1HSPA5KEAP1CYP2D6TSHR
Catechol SCHEMBL6545013 0.81 MAPT (0.48) IDO1HSPA5TSHRHIF1ACYP3A4
SCHEMBL126999 0.81 IDO1 (0.67) IDO1HSPA5KEAP1CYP2D6TSHR
SCHEMBL5881107 0.81 CYP3A4 (0.39) TSHRCYP3A4
SCHEMBL12822006 0.80 ALDH1A1 (0.43) CYP2D6TSHRCYP3A4
SCHEMBL7558757 0.79 IDO1 (0.43) IDO1TSHRCYP3A4
SCHEMBL11011645 0.78 GABRA1 (0.41) CYP2D6TSHRCYP3A4
SCHEMBL3684989 0.78 IDO1 (0.57) IDO1HSPA5KEAP1CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4804612-A PLASMA DRY-ETCHING RESISTANCE TOKYO OHKA KOGYO CO., LTD. (JP) 1989-02-14 US claimed
JP-59027892-A None JP disclosed
JP-2001302685-A METHOD FOR PRODUCING ORGANOPHOSPHORUS COMPOUND SANKO KK 2001-10-31 JP disclosed
EP-0451650-B1 Method for the production of o-hydroxy-benzaldehydes BAYER AG (DE) 1994-08-24 EP disclosed
US-5130493-A Oxidation of o-cresol in the presence of a chelate compound of iron and manganese with mesotetraarylporphine BAYER AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed
EP-0451650-A1 Method for the production of o-hydroxy-benzaldehydes BAYER AG (DE) 1991-10-16 EP disclosed
US-4804612-A PLASMA DRY-ETCHING RESISTANCE TOKYO OHKA KOGYO CO., LTD. (JP) 1989-02-14 US disclosed
JP-S5927892-A PREPARATION OF ACETYLENECARBAMIDE DERIVATIVE SUMITOMO CHEM CO LTD 1984-02-14 JP disclosed
JP-S05927892-A 0001-01-01 JP disclosed