SCHEMBL16123260

SCHEMBL16123260

C=CC(=O)Nc1cc(C)ccc1OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.49
▸ KCNMA1 Q12791 1/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ TGM2 P21980 1/20 0.47
▸ MRGPRX1 Q96LB2 2/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ MAPK3 P27361 1/20 0.46
▸ FGFR1 P11362 2/20 0.45
▸ FGFR4 P22455 2/20 0.45

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
SCHEMBL1864641 0.89 SMN1; SMN2 (0.46) CREBBPLMNARAB9AMEN1TP53
SCHEMBL14098226 0.82 CYP1A2 (0.65) CREBBPLMNARAB9AMEN1TP53
SCHEMBL1867906 0.79 CYP1A2 (0.43) LMNARAB9AMEN1TP53MAPT
SCHEMBL18579193 0.78 RAB9A (0.72) LMNARAB9AMEN1TP53MAPT
SCHEMBL18256266 0.78 TGM2 (0.59) MEN1MAPTKMT2ASMN1; SMN2CYP1A2
SCHEMBL21894170 0.77 TGM2 (0.58) LMNARAB9AMEN1MAPTKMT2A
SCHEMBL31162390 0.77 TGM2 (0.58) LMNARAB9AMEN1MAPTKMT2A
SCHEMBL27616728 0.77 TDP1 (0.51) LMNAMEN1MAPTKMT2ATGM2
SCHEMBL14274490 0.76 CYP1A2 (0.50) LMNARAB9AMEN1TP53MAPT
SCHEMBL3870279 0.75 GAA (0.67) RAB9AMEN1TP53MAPTHTT

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-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 — — WO disclosed
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