SCHEMBL7900457

SCHEMBL7900457

CNNCc1ccc(CC2CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
PRMT6 Q96LA8 4/20 0.39
CARM1 Q86X55 3/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GBA1 P04062 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CCR3 P51677 1/20 0.34

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
SCHEMBL17362153 0.75 CARM1 (0.41) PRMT6CARM1KMT2AGBA1SLC6A2
SCHEMBL16255071 0.72 CHRM2 (0.48) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL31276928 0.72 GBA1 (0.43) ALDH1A1PRMT6GBA1SLC6A2SLC6A4
SCHEMBL13906422 0.70 LMNA (0.54) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL11594280 0.70 TAAR1 (0.50) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL11831742 0.70 ALDH1A1 (0.52) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL22542162 0.69 KEAP1 (0.43) PRMT6CARM1
SCHEMBL3501486 0.69 CYP3A4 (0.61) ALDH1A1LMNACYP1A2ALOX15CYP2C19
SCHEMBL11009339 0.68 MAOA (0.44) PRMT6GBA1CCR3
SCHEMBL11009335 0.68 MAOA (0.44) PRMT6GBA1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US disclosed