SCHEMBL9825823

SCHEMBL9825823

CCNC1COc2cc(C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.39
CA2 P00918 1/20 0.38
HTR2A P28223 2/20 0.37
ALOX15B O15296 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
TERT O14746 1/20 0.36
FFAR1 O14842 2/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
SLC6A2 P23975 3/20 0.35
ALDH1A1 P00352 1/20 0.35
ALDH2 P05091 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35

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
SCHEMBL5019356 0.80 HTR2A (0.48) HTR2ASLC6A2HTR2BSLC6A4SLC6A3
SCHEMBL31040814 0.79 TRPV1 (0.39) HTR2AFFAR1HTR2BSIGMAR1SLC6A4
SCHEMBL27198041 0.79 TRPV1 (0.39) HTR2AFFAR1HTR2BSIGMAR1SLC6A4
Hydrochloric Acid SCHEMBL31137332 0.78 TRPV1 (0.39) FFAR1SIGMAR1
SCHEMBL31621006 0.77 CYP19A1 (0.39) CYP19A1CA2ALOX15BALOX15ALOX12
SCHEMBL5536383 0.74 MAP3K14 (0.42) CYP19A1CA2ALOX15BALOX15ALOX12
SCHEMBL30456628 0.72 TOP2A (0.42) CYP19A1CA2ALOX15BALOX15ALOX12
SCHEMBL21933120 0.72 TOP2A (0.42) CYP19A1CA2ALOX15BALOX15ALOX12
SCHEMBL6327487 0.72 TOP2A (0.42) CYP19A1CA2ALOX15BALOX15ALOX12
SCHEMBL5536375 0.70 CYP19A1 (0.47) CYP19A1CA2ALOX15ALOX12TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0283522-B1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-27 EP disclosed
EP-0283522-A1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-09-28 EP disclosed