SCHEMBL9504670

SCHEMBL9504670

CC(Cl)CN(c1ccccc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.44
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
AOC3 Q16853 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ESR1 P03372 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL11577944 0.83 TAAR1 (0.46) TAAR1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11690466 0.77 CA12 (0.41) TAAR1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL26002714 0.76 TAAR1 (0.45) TAAR1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL27840492 0.76 TAAR1 (0.49) TAAR1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL2398343 0.76 TAAR1 (0.47) TAAR1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL15226978 0.75 TAAR1 (0.47) TAAR1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL26002686 0.75 TAAR1 (0.47) TAAR1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL23319704 0.74 TAAR1 (0.46) TAAR1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL94693 0.74 TAAR1 (0.46) TAAR1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL317239 0.74 TAAR1 (0.46) TAAR1ALDH1A1LMNASMN1; SMN2TP53

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
EP-0426987-B1 RAPIDLY IMMOBILIZING PAPER COATING COMPOSITIONS National Starch and Chemical Investment Holding Corporation (US) 1993-07-14 EP claimed
US-5093159-A Cationic Starch, Pigment, Base NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1992-03-03 US claimed
EP-0426987-A1 Rapidly immobilizing paper coating compositions National Starch and Chemical Investment Holding Corporation (US) 1991-05-15 EP claimed
EP-0426987-B1 RAPIDLY IMMOBILIZING PAPER COATING COMPOSITIONS National Starch and Chemical Investment Holding Corporation (US) 1993-07-14 EP disclosed
US-5093159-A Cationic Starch, Pigment, Base NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1992-03-03 US disclosed
EP-0426987-A1 Rapidly immobilizing paper coating compositions National Starch and Chemical Investment Holding Corporation (US) 1991-05-15 EP disclosed