SCHEMBL30967728

SCHEMBL30967728

Cc1ccc(C(=O)O)cc1Oc1cc(Cl)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
TPMT P51580 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TTR P02766 2/20 0.40
KMO O15229 2/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL16794577 1.00 MRGPRX4 (0.42) MRGPRX4CA12CA1CA2CA4
SCHEMBL1935899 0.80 PPARG (0.44) MRGPRX4CA12CA1CA2CA4
SCHEMBL28114618 0.78 CA12 (0.57) CA12CA1CA2CA4CA6
SCHEMBL27423552 0.76 SMN1; SMN2 (0.56) TSHRALDH1A1RAB9AHTTKDM4E
SCHEMBL2046361 0.74 HTT (0.44) MRGPRX4CA12CA1CA2CA4
SCHEMBL31721229 0.74 CA12 (0.45) MRGPRX4CA12CA1CA2CA4
SCHEMBL5319903 0.72 RAF1 (0.42) KMOALDH1A1RAB9AHTTMEN1
SCHEMBL30309762 0.72 KDR (0.47) MRGPRX4TTRMAP4K2MAP3K7
SCHEMBL26602042 0.72 KDR (0.47) MRGPRX4TTRMAP4K2MAP3K7
SCHEMBL15490439 0.71 SMN1; SMN2 (0.41) TSHRALDH1A1RAB9AHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50030-E1 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-07-02 US disclosed