SCHEMBL18499397

SCHEMBL18499397

C=Cc1ccc(C(=O)OCC)c(-n2c(C)cc(C3CCC3)c2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 5/20 0.39
MAPK1 P28482 2/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
TSHR P16473 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NOTUM Q6P988 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL15714705 0.79 MCL1 (0.54) MCL1MAPTALDH1A1LMNAMAPK1
Hydrochloric Acid SCHEMBL11680072 0.73 ALDH1A1 (0.51) MCL1MAPTALDH1A1MEN1KMT2A
SCHEMBL21052519 0.71 MCL1 (0.57) MCL1MAPTALDH1A1MEN1KMT2A
SCHEMBL1965264 0.70 MCL1 (0.56) MCL1MAPTALDH1A1MEN1KMT2A
SCHEMBL14321375 0.69 MCL1 (0.55) MCL1MAPTALDH1A1MEN1KMT2A
SCHEMBL10003520 0.68 MCL1 (0.54) MCL1ALDH1A1KMT2AMAPK1TSHR
SCHEMBL14321006 0.68 MCL1 (0.54) MCL1MAPTALDH1A1MEN1KMT2A
SCHEMBL6072487 0.68 MCL1 (0.54) MCL1MAPTALDH1A1LMNAGABRA1
SCHEMBL14321653 0.68 MCL1 (0.54) MCL1MAPTALDH1A1MEN1KMT2A
SCHEMBL6617724 0.67 MCL1 (0.53) MCL1MAPTALDH1A1MEN1KMT2A

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-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 US disclosed