SCHEMBL28547331

SCHEMBL28547331

c1ccc(P(CCP(c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.42
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
IDO1 P14902 2/20 0.38
TP53 P04637 1/20 0.38
TRPA1 O75762 1/20 0.38
MAOB P27338 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FAAH O00519 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
ELANE P08246 1/20 0.36
PRTN3 P24158 1/20 0.36
PRSS3 P35030 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL9317966 0.83 CALM1 (0.35) CALM1TSHRALDH1A1LOXL2IDO1
SCHEMBL6291595 0.83 CALM1 (0.35) CALM1TSHRALDH1A1LOXL2IDO1
SCHEMBL9317971 0.83 TP53 (0.43) CALM1TSHRALDH1A1TP53MAOB
Bromide SCHEMBL7305361 0.81 TP53 (0.42) CALM1TSHRALDH1A1TP53MAOB
SCHEMBL10938295 0.79 TSHR (0.33) CALM1TSHR
SCHEMBL6291658 0.77 TSHR (0.32) CALM1TSHRMAOB
Hydrochloric Acid SCHEMBL6847558 0.77 CALM1 (0.41) CALM1TSHRALDH1A1LOXL2IDO1
SCHEMBL6288625 0.75 TSHR (0.31) TSHRMAOBMAOA
SCHEMBL6288215 0.75 TSHR (0.31) TSHRMAOBMAOA
SCHEMBL2509412 0.75 DNM1 (0.44) TP53HTR2ASMN1; SMN2

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
CN-112625502-A Ink composition, quantum dot-polymer composite, display device, and method of manufacturing 三星显示有限公司 2021-04-09 CN disclosed