SCHEMBL11577974

SCHEMBL11577974

O=C=NCCCCOC(=O)/C=C/C(=O)OCCCCN=C=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
HCAR2 Q8TDS4 6/20 0.46
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.33
APP P05067 6/20 0.32
HTT P42858 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30

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
SCHEMBL11577977 1.00 ATM (0.48) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL3695169 0.90 ATM (0.43) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL3695165 0.90 ATM (0.43) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL5356475 0.88 HCAR2 (0.42) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL5370758 0.88 HCAR2 (0.42) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL25198124 0.88 HCAR2 (0.42) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL27884001 0.88 HCAR2 (0.42) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL5356470 0.88 HCAR2 (0.42) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL5370765 0.88 HCAR2 (0.42) ATMHCAR2TSHRALDH1A1CYP3A4
SCHEMBL27883977 0.88 HCAR2 (0.42) ATMHCAR2TSHRALDH1A1CYP3A4

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-RE29772-E IMPACT STRENGTH, CLARITY, WEATHER RESISTANCE ROHM AND HAAS COMPANY (US) 1978-09-19 US disclosed