SCHEMBL8915491

SCHEMBL8915491

CCC(=C(c1ccc(OCCN(C)C)cc1)c1ccc(OP(=O)(O)O)cc1)c1ccc(C(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.61
ESR2 Q92731 5/20 0.61
MAPT P10636 3/20 0.61
MEN1 O00255 3/20 0.61
TP53 P04637 3/20 0.61
CYP3A4 P08684 3/20 0.61
KMT2A Q03164 3/20 0.61
PGR P06401 2/20 0.61
ESRRG P62508 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2D6 P10635 2/20 0.61
HTR6 P50406 2/20 0.61
NPC1 O15118 1/20 0.61
NR1I2 O75469 1/20 0.61
PRKD3 O94806 1/20 0.61
ABCB11 O95342 1/20 0.61
EGFR P00533 1/20 0.61
GBA1 P04062 1/20 0.61
NR3C1 P04150 1/20 0.61
ERBB2 P04626 1/20 0.61

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
SCHEMBL2087896 1.00 ESR1 (0.61) ESR1ESR2MAPTMEN1TP53
SCHEMBL3781211 1.00 ESR1 (0.61) ESR1ESR2MAPTMEN1TP53
SCHEMBL9857160 0.93 ESR1 (0.62) ESR1ESR2MAPTMEN1TP53
SCHEMBL9857866 0.93 ESR1 (0.62) ESR1ESR2MAPTMEN1TP53
Piperidine SCHEMBL9857095 0.92 ESR1 (0.53) ESR1ESR2MAPTMEN1TP53
Piperidine SCHEMBL9857603 0.92 ESR1 (0.53) ESR1ESR2MAPTMEN1TP53
SCHEMBL9857990 0.92 ESR1 (0.70) ESR1ESR2MAPTMEN1TP53
SCHEMBL9856952 0.90 ESR1 (0.50) ESR1ESR2MAPTMEN1TP53
Miproxifene SCHEMBL3781209 0.89 ESR1 (0.69) ESR1ESR2MAPTMEN1TP53
Miproxifene SCHEMBL3781215 0.89 ESR1 (0.69) ESR1ESR2MAPTMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272330-B1 1,1,2-TRIARYL-1-BUTENE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1991-05-22 EP claimed
US-4897503-A ANTITUMOR AGENTS; TREATING MAMMARY CANCER AND ANOVULATORY INFERTILITY TAIHO PHARMACEUTICAL (JP) 1990-01-30 US claimed
EP-0272330-A1 1,1,2-TRIARYL-1-BUTENE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-06-29 EP claimed
JP-9110698-A None JP disclosed
JP-H09110698-A PRODUCTION OF ORAL MEDICINE COMPOSITION TAIHO YAKUHIN KOGYO KK 1997-04-28 JP disclosed
EP-0272330-B1 1,1,2-TRIARYL-1-BUTENE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1991-05-22 EP disclosed
US-4897503-A ANTITUMOR AGENTS; TREATING MAMMARY CANCER AND ANOVULATORY INFERTILITY TAIHO PHARMACEUTICAL (JP) 1990-01-30 US disclosed
EP-0272330-A1 1,1,2-TRIARYL-1-BUTENE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-06-29 EP disclosed