SCHEMBL8442833

SCHEMBL8442833

CCC(CC)COC(=O)c1ccc(N)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.66
LMNA P02545 4/20 0.66
CYP1A2 P05177 3/20 0.66
MAOA P21397 2/20 0.66
TSHR P16473 3/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
PDE4D Q08499 1/20 0.58
ADRB2 P07550 2/20 0.57
ADRB1 P08588 2/20 0.57
ADRB3 P13945 2/20 0.57
ALDH1A1 P00352 5/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
CYP2D6 P10635 2/20 0.54
HTR3A P46098 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PHLPP2 Q6ZVD8 1/20 0.53

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
SCHEMBL3372196 0.88 CYP3A4 (0.71) CYP3A4LMNACYP1A2MAOATSHR
SCHEMBL23021503 0.87 CYP3A4 (0.66) CYP3A4LMNACYP1A2MAOATSHR
SCHEMBL9590886 0.85 MAPT (0.73) CYP3A4LMNACYP1A2MAOATSHR
SCHEMBL9148582 0.85 MAPT (0.73) CYP3A4LMNACYP1A2MAOATSHR
SCHEMBL10880505 0.85 ADRB2 (0.68) CYP3A4LMNACYP1A2MAOATSHR
SCHEMBL16884182 0.84 ESR1 (0.65) CYP3A4LMNACYP1A2TSHRCYP2C19
SCHEMBL7027777 0.82 ADRB2 (0.65) CYP3A4LMNACYP1A2MAOATSHR
SCHEMBL3749140 0.82 ALDH1A1 (0.65) CYP3A4LMNATSHRADRB2ADRB1
Isobutamben SCHEMBL25178 0.82 ADRB2 (0.65) CYP3A4LMNACYP1A2MAOATSHR
SCHEMBL1988388 0.81 ADRB2 (0.58) CYP3A4LMNACYP1A2TSHRCYP2C19

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-0570838-B1 s-Triazine derivatives as light stabilisers 3V SIGMA SPA (IT) 1999-08-11 EP disclosed
US-5346691-A FOR USE IN DERMATOLOGICAL AND COSMETIC COMPOSITIONS 3V INC. (US) 1994-09-13 US disclosed
EP-0570838-A1 S-triazine derivatives as light stabilisers 3V SIGMA S.p.A (IT) 1993-11-24 EP disclosed