SCHEMBL8966705

SCHEMBL8966705

CCCCCCCCCCc1ccc(C(N)CO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.57
HTR2A P28223 2/20 0.55
ESR1 P03372 2/20 0.55
ADRA2A P08913 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
TACR2 P21452 2/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
SHBG P04278 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
HSPD1 P10809 1/20 0.55
ADRB3 P13945 1/20 0.55
HTR2C P28335 1/20 0.55
HSPE1 P61604 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL8967182 1.00 SPHK1 (0.57) SPHK1HTR2AESR1ADRA2AADORA3
SCHEMBL8501701 0.89 SPHK1 (0.54) SPHK1HTR2AESR1ADRA2AADORA3
Hydrochloric Acid SCHEMBL8501504 0.87 SPHK1 (0.52) SPHK1HTR2AESR1ADRA2AADORA3
SCHEMBL11664454 0.84 HTR2A (0.66) SPHK1HTR2AESR1ADRA2AADORA3
SCHEMBL12502918 0.84 HTR2A (0.66) SPHK1HTR2AESR1ADRA2AADORA3
Hydrochloric Acid SCHEMBL27921087 0.83 HTR2A (0.64) SPHK1HTR2AESR1ADRA2AADORA3
SCHEMBL8501713 0.82 SPHK1 (0.50) SPHK1HTR2AESR1ADRA2AADORA3
SCHEMBL8501636 0.82 SPHK1 (0.50) SPHK1HTR2AESR1ADRA2AADORA3
Hydrochloric Acid SCHEMBL8503317 0.82 SPHK1 (0.48) SPHK1HTR2AESR1ADRA2AADORA3
SCHEMBL8503490 0.82 SPHK1 (0.50) SPHK1HTR2AESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432661-B1 2-Substituted phenyl-2-oxazoline or thiazoline derivatives, process for producing the same and insecticides and acaricides containing the same YASHIMA KAGAKU KOGYO KK (JP) 1996-03-06 EP disclosed
US-5141948-A 2-SUBSTITUTED PHENYL-2-OXAZOLINE OR THIAZOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND INSECTICIDES AND ACARICIDES CONTAINING THE SAME YASHIMA CHEMICAL INDUSTRIAL CO., LTD. (JP) 1992-08-25 US disclosed
EP-0432661-A2 2-Substituted phenyl-2-oxazoline or thiazoline derivatives, process for producing the same and insecticides and acaricides containing the same YASHIMA CHEMICAL INDUSTRIAL CO., LTD. (JP) 1991-06-19 EP disclosed