SCHEMBL9369380

SCHEMBL9369380

CCC(O)(C(=O)O)C(C)(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL28674458 0.86 CYP2C19 (0.46) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL3275634 0.80 CYP2C19 (0.47) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL22824871 0.77 LMNA (0.53) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL4368737 0.77 MAPT (0.48) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL7899580 0.77 CYP2C19 (0.47) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL584028 0.77 CYP2C19 (0.47) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL5570579 0.77 CYP2C19 (0.47) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL1287614 0.76 TAAR1 (0.44) CYP2C19HIF1AMAPTKMT2ALMNA
Bicarbonate SCHEMBL28135106 0.75 MAPT (0.56) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL1492728 0.75 CYP2C19 (0.50) CYP2C19HIF1ACYP1A2CYP2D6MAPT

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-0347811-B1 Alkanoic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO (JP) 1994-03-30 — — EP disclosed
US-5087289-A ALKANOIC ACID DERIVATIVES AND HERBICIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-02-11 — — US disclosed
US-4968340-A PREEMERGENCE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-11-06 — — US disclosed
EP-0347811-A1 Alkanoic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-12-27 — — EP disclosed
Send feedback