SCHEMBL11229863

SCHEMBL11229863

COc1cc(OC)cc(C(=O)N(Cc2ccccc2)C(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.68
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
USP2 O75604 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 3/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
PSEN1 P49768 2/20 0.51
PSEN2 P49810 2/20 0.51
APH1B Q8WW43 2/20 0.51
NCSTN Q92542 2/20 0.51
APH1A Q96BI3 2/20 0.51
PSENEN Q9NZ42 2/20 0.51
LPAR1 Q92633 4/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL14427596 0.82 MEN1 (0.67) ATMMEN1KMT2ANPSR1TSHR
SCHEMBL132642 0.81 MEN1 (0.58) ATMMEN1KMT2ALMNAPSEN1
SCHEMBL11230693 0.80 MEN1 (0.56) ATMMEN1KMT2ANPSR1TSHR
SCHEMBL11232783 0.80 MEN1 (0.56) ATMMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL11407386 0.80 HSD17B10 (0.48) ATMMEN1KMT2AUSP2HSD17B10
SCHEMBL97454 0.75 MEN1 (0.58) ATMMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL11213394 0.75 PPARG (0.56) ATMMEN1KMT2AALDH1A1TSHR
SCHEMBL11226889 0.75 WDR5 (0.56) ATMMEN1KMT2AALDH1A1HPGD
SCHEMBL1701279 0.75 KMT2A (0.76) ATMMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL9173685 0.75 ACHE (0.53) ATMMEN1KMT2AALDH1A1NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4331815-A Process for manufacturing N-benzyl-N-isopropyl amides GULF OIL CORPORATION (US) 1982-05-25 US claimed
US-3974218-A N-BENZYL AMIDES OF ALKANOIC AND BENZOIC ACIDS GULF RESEARCH & DEVELOPMENT COMPANY (US) 1976-08-10 US claimed
US-4331815-A Process for manufacturing N-benzyl-N-isopropyl amides GULF OIL CORPORATION (US) 1982-05-25 US disclosed
US-3974218-A N-BENZYL AMIDES OF ALKANOIC AND BENZOIC ACIDS GULF RESEARCH & DEVELOPMENT COMPANY (US) 1976-08-10 US disclosed