SCHEMBL28040186

SCHEMBL28040186

Sc1ccc(Cc2ccccc2)cc1.[NaH]

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.63
LTA4H P09960 4/20 0.48
IDH1 O75874 1/20 0.46
PLA2G10 O15496 1/20 0.45
PLA2G2A P14555 1/20 0.45
LMNA P02545 1/20 0.45
IDO1 P14902 1/20 0.43
SLC22A2 O15244 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP2C9 P11712 1/20 0.39
HNF4A P41235 1/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
TP53 P04637 1/20 0.38
LOXL2 Q9Y4K0 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
SCHEMBL338117 0.97 CALM1 (0.67) CALM1LTA4HIDH1PLA2G10PLA2G2A
SCHEMBL28040181 0.95 CALM1 (0.63) CALM1LTA4HIDH1PLA2G10PLA2G2A
SCHEMBL17416126 0.95 CALM1 (0.63) CALM1LTA4HIDH1PLA2G10PLA2G2A
Diphenylmethane SCHEMBL6200261 0.89 CALM1 (0.71) CALM1LTA4HIDH1PLA2G10PLA2G2A
SCHEMBL63938 0.86 ALDH1A1 (0.47) CALM1LTA4HIDH1PLA2G10PLA2G2A
Hydrochloric Acid SCHEMBL9051020 0.83 ALDH1A1 (0.45) CALM1LTA4HIDH1PLA2G10PLA2G2A
SCHEMBL972712 0.83 CALM1 (0.92) CALM1LTA4HIDH1PLA2G10PLA2G2A
Diphenylmethane SCHEMBL27671830 0.83 CALM1 (0.92) CALM1LTA4HIDH1PLA2G10PLA2G2A
SCHEMBL8094422 0.83 CALM1 (0.92) CALM1LTA4HIDH1PLA2G10PLA2G2A
SCHEMBL9456420 0.81 MAOB (0.56) IDO1LOXL2

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-105008427-B Block copolymer and its manufacture method 东丽株式会社 2017-03-08 CN disclosed
CN-105008427-A Block copolymer and production method for same TORAY INDUSTRIES 2015-10-28 CN disclosed