SCHEMBL7802198

SCHEMBL7802198

CNc1ccc(CCc2cc(OC)ccc2OC)cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
PLK1 P53350 1/20 0.45
PLK3 Q9H4B4 1/20 0.45
ADRA1A P35348 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
KDM4C Q9H3R0 1/20 0.44

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
SCHEMBL1825236 0.88 MTNR1B (0.52) HSD17B10MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL7802403 0.88 ALDH1A1 (0.50) HSD17B10MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL8951604 0.84 LCK (0.56) HSD17B10MTNR1AMTNR1BADRA1ATAAR1
SCHEMBL7804155 0.83 HSD17B10 (0.51) HSD17B10MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL1826678 0.79 MTNR1B (0.52) HSD17B10MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL7245984 0.79 MAPT (0.61) KDM4EALDH1A1MAPTMEN1LMNA
SCHEMBL30956327 0.78 MTNR1A (0.50) HSD17B10MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL8951153 0.78 MTNR1A (0.50) HSD17B10MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL8951424 0.76 MTNR1A (0.51) HSD17B10MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8531028 0.76 HSD17B10 (0.46) HSD17B10MTNR1AMTNR1BMEN1KMT2A

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-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