SCHEMBL27816468

SCHEMBL27816468

CCCc1c(OC)c(F)c(F)c(C(=O)O)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GFER P55789 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LDHA P00338 2/20 0.36
▸ LDHB P07195 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ DRD2 P14416 2/20 0.32
▸ IMPDH2 P12268 1/20 0.32

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
SCHEMBL9378544 0.78 KMT2A (0.49) MEN1KMT2ACYP2C9CYP1A2GFER
SCHEMBL29710578 0.78 KMT2A (0.49) MEN1KMT2ACYP2C9CYP1A2GFER
SCHEMBL10991925 0.76 LDHA (0.42) MEN1KMT2ASMN1; SMN2LDHALDHB
SCHEMBL5702932 0.76 MEN1 (0.54) MEN1KMT2ACYP2C9CYP1A2GFER
SCHEMBL5587554 0.75 LDHA (0.50) LDHALDHBKDM4EALDH1A1HSD17B10
SCHEMBL7855502 0.74 LDHA (0.41) MEN1KMT2ASMN1; SMN2LDHALDHB
SCHEMBL29154296 0.74 MEN1 (0.53) MEN1KMT2ACYP2C9CYP1A2GFER
SCHEMBL27827479 0.74 MEN1 (0.49) MEN1KMT2ACYP2C9CYP1A2GFER
SCHEMBL8464230 0.74 KMT2A (0.53) MEN1KMT2ACYP2C9CYP1A2GFER
SCHEMBL4247568 0.72 KMT2A (0.51) MEN1KMT2ACYP2C9CYP1A2GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102690194-A Preparation method of 3-cyclopropylmethoxy-4-difluoromethoxy-benzoic acid SHANGHAI TONGYUAN BIOTECHNOLOGY CO LTD 2012-09-26 — — CN disclosed
CN-102093194-A New method for synthesizing 3-cyclopropyl methoxy-4-(difluoromethoxy) benzoic acid EPITOMICS INC 2011-06-15 — — CN disclosed
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