SCHEMBL10356402

SCHEMBL10356402

CCC(O)(c1ccc(C(F)(F)F)cc1)c1ccc(O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.42
▸ PTGS1 P23219 5/20 0.41
▸ ESR1 P03372 5/20 0.39
▸ ESR2 Q92731 3/20 0.38
▸ AR P10275 2/20 0.38
▸ PDK2 Q15119 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ NQO2 P16083 2/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 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
SCHEMBL10356747 0.88 ESR1 (0.39) ESR1ESR2ARCYP3A4CYP2D6
SCHEMBL10356406 0.87 ESR1 (0.40) ESR1ESR2CYP3A4CYP2D6
SCHEMBL10356413 0.84 ESR1 (0.42) ESR1ESR2AR
SCHEMBL10356346 0.84 ESR1 (0.39) ESR1ESR2CYP3A4
SCHEMBL10784877 0.81 KIF11 (0.57) KIF11PTGS1ESR1ESR2AR
SCHEMBL10356748 0.80 ESR1 (0.36) KIF11ESR1ESR2AR
SCHEMBL27911913 0.75 AOC3 (0.42) ESR2CYP3A4
SCHEMBL10356950 0.75 TSHR (0.41) KIF11ESR1ESR2
SCHEMBL10784573 0.74 ESR1 (0.44) KIF11ESR1ESR2ARCYP3A4
SCHEMBL10740804 0.73 ESR1 (0.47) KIF11ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0112587-B1 DERIVATIVES OF 4-(1-(PHENYL)-1-(HYDROXY)-PROP-1-YL)-RESORCINE, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1990-09-19 — — EP claimed
EP-0112587-A2 Derivatives of 4-(1-(phenyl)-1-(hydroxy)-prop-1-yl)-resorcine, process for their preparation and medicines containing these compounds RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1984-07-04 — — EP claimed
EP-0112587-B1 DERIVATIVES OF 4-(1-(PHENYL)-1-(HYDROXY)-PROP-1-YL)-RESORCINE, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1990-09-19 — — EP disclosed
US-4510338-A TREATMENT OF ACUTE ETHANOLIC INTOXICATION/- RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1985-04-09 — — US disclosed
EP-0112587-A2 Derivatives of 4-(1-(phenyl)-1-(hydroxy)-prop-1-yl)-resorcine, process for their preparation and medicines containing these compounds RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1984-07-04 — — EP disclosed
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