SCHEMBL17633993

SCHEMBL17633993

C=C[C@@](N)(Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
HIF1A Q16665 1/20 0.58
CYP2C19 P33261 4/20 0.46
CYP2C9 P11712 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
SLC6A2 P23975 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ARG1 P05089 1/20 0.43
ARG2 P78540 1/20 0.43
TSHR P16473 2/20 0.41
GRM2 Q14416 3/20 0.40
GRM3 Q14832 3/20 0.40
BLM P54132 1/20 0.40
FDPS P14324 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 3/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKR1B1 P15121 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
SCHEMBL8381518 1.00 SMN1; SMN2 (0.58) SMN1; SMN2HIF1ACYP2C19CYP2C9ALDH1A1
SCHEMBL6717503 1.00 SMN1; SMN2 (0.58) SMN1; SMN2HIF1ACYP2C19CYP2C9ALDH1A1
SCHEMBL23963139 0.86 BLM (0.57) SMN1; SMN2HIF1AALDH1A1CYP3A4BLM
SCHEMBL6714645 0.86 BLM (0.57) SMN1; SMN2HIF1AALDH1A1CYP3A4BLM
Hydrochloric Acid SCHEMBL11266269 0.84 BLM (0.56) SMN1; SMN2HIF1AALDH1A1CYP3A4BLM
Hydrochloric Acid SCHEMBL11266265 0.84 BLM (0.56) SMN1; SMN2HIF1AALDH1A1CYP3A4BLM
SCHEMBL8385924 0.83 SMN1; SMN2 (0.60) SMN1; SMN2HIF1ACYP2C19CYP2C9ALDH1A1
SCHEMBL8385923 0.83 SMN1; SMN2 (0.60) SMN1; SMN2HIF1ACYP2C19CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL11271312 0.82 GRM2 (0.46) SMN1; SMN2HIF1AALDH1A1CYP3A4TAAR1
SCHEMBL4610862 0.81 CYP2C19 (0.56) SMN1; SMN2HIF1ACYP2C19CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208220-B2 Non-Newtonian photo-curable ink composition HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2019-02-19 US claimed
US-20170260406-A1 NON-NEWTONIAN PHOTO-CURABLE INK COMPOSITION HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2017-09-14 US claimed
WO-2016048396-A1 NON-NEWTONIAN PHOTO-CURABLE INK COMPOSITION HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2016-03-31 WO claimed
US-10208220-B2 Non-Newtonian photo-curable ink composition HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2019-02-19 US disclosed
US-20170260406-A1 NON-NEWTONIAN PHOTO-CURABLE INK COMPOSITION HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2017-09-14 US disclosed
WO-2016048396-A1 NON-NEWTONIAN PHOTO-CURABLE INK COMPOSITION HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2016-03-31 WO disclosed