SCHEMBL7804155

SCHEMBL7804155

COc1ccc(OC)c(CCc2ccc(N)c(C(=O)O)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
ADRA1A P35348 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CDC25B P30305 1/20 0.49
CASP6 P55212 1/20 0.49
RCE1 Q9Y256 1/20 0.49
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
AOC3 Q16853 1/20 0.46
IDO1 P14902 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL8951604 0.86 LCK (0.56) HSD17B10ADRA1ATAAR1MTNR1AMTNR1B
SCHEMBL7802198 0.83 HSD17B10 (0.49) HSD17B10ADRA1ATAAR1ALDH1A1MTNR1A
SCHEMBL8531028 0.82 HSD17B10 (0.46) HSD17B10ADRA1ATAAR1MTNR1AMTNR1B
SCHEMBL7802403 0.81 ALDH1A1 (0.50) HSD17B10ALDH1A1MTNR1AMTNR1BMAPT
SCHEMBL1825236 0.81 MTNR1B (0.52) HSD17B10ALDH1A1MTNR1AMTNR1BMAPT
SCHEMBL29380973 0.78 SMN1; SMN2 (0.59) ALDH1A1CDC25BCASP6RCE1MAPT
SCHEMBL27720018 0.78 SMN1; SMN2 (0.59) ALDH1A1CDC25BCASP6RCE1MAPT
SCHEMBL221141 0.78 SMN1; SMN2 (0.59) ALDH1A1CDC25BCASP6RCE1MAPT
SCHEMBL30956327 0.78 MTNR1A (0.50) HSD17B10ADRA1ATAAR1ALDH1A1MTNR1A
SCHEMBL8951153 0.78 MTNR1A (0.50) HSD17B10ADRA1ATAAR1ALDH1A1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815087-B1 TRISUBSTITUTED PHENYL DERIVATIVES NOVARTIS AG (CH) 2001-11-14 EP disclosed
US-5990116-A USE IN PREVENTION OR TREATMENT OF INFLAMMATORY AND PROLIFERATIVE SKIN DISEASES AND CANCER; COMPOUNDS SUCH AS 6-(2-(2,5-DIMETHOXYPHENYL)ETHYL)-4-ETHYL-QUINAZOLINE NOVARTIS AG (CH) 1999-11-23 US disclosed
EP-0815087-A1 TRISUBSTITUTED PHENYL DERIVATIVES Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996028430-A1 TRISUBSTITUTED PHENYL DERIVATIVES NOVARTIS AG (CH) 1996-09-19 WO disclosed