SCHEMBL21757375

SCHEMBL21757375

CCc1cc(OC(=O)O)c(CC)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
THRB P10828 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL21757393 0.86 TSHR (0.38) SMN1; SMN2TSHRHSD17B10KMT2APOLB
SCHEMBL14565417 0.76 TAAR1 (0.57) SMN1; SMN2CA1CA2CA12CA9
SCHEMBL21757374 0.75 LMNA (0.47) SMN1; SMN2TSHRHSD17B10KMT2ATAAR1
SCHEMBL11807767 0.74 GABRA1 (0.46) SMN1; SMN2TSHRHSD17B10
SCHEMBL21757383 0.74 PTGDR2 (0.40) SMN1; SMN2TSHRHSD17B10POLB
SCHEMBL5676155 0.73 ALOX15 (0.42) TAAR1
SCHEMBL1835914 0.72 TAAR1 (0.33) HSD17B10POLBTAAR1
SCHEMBL1835092 0.72 IMPDH2 (0.35) HSD17B10KMT2APOLBTAAR1
SCHEMBL5679200 0.72 TRPV1 (0.49) SMN1; SMN2TSHRTRPV1
SCHEMBL21753563 0.71 PPARA (0.52) SMN1; SMN2TSHR

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
WO-2020038464-A1 FIBRIC ACID COMPOUND AND MEDICAL USE THEREOF 北京厚燊药德科技有限责任公司 2020-02-27 WO disclosed