SCHEMBL10356748

SCHEMBL10356748

CCC(O)(c1ccc(O)cc1O)c1ccccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ ESR2 Q92731 1/20 0.34
▸ AR P10275 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ HSD17B1 P14061 3/20 0.33
▸ HSD17B2 P37059 2/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ IDO1 P14902 1/20 0.33

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
SCHEMBL27922683 0.83 NOS3 (0.41) ARATMNOS3NOS1NOS2
SCHEMBL10356402 0.80 KIF11 (0.42) ESR1KIF11ESR2AR
SCHEMBL10356346 0.80 ESR1 (0.39) ESR1ESR2TYR
SCHEMBL10784573 0.80 ESR1 (0.44) ESR1KIF11ESR2ARMAOB
SCHEMBL10356406 0.79 ESR1 (0.40) ESR1ESR2TRPV1NOS3NOS1
SCHEMBL10356407 0.79 TTR (0.43) MAOBATM
SCHEMBL9327070 0.74 TSHR (0.54) ESR1KIF11ESR2ARATM
SCHEMBL4184980 0.74 KIF11 (0.50) KIF11ARHSD17B1HSD17B2MAOB
SCHEMBL10356747 0.74 ESR1 (0.39) ESR1ESR2ARTYR
SCHEMBL11620674 0.74 HTR2A (0.44) ATMNOS3NOS1NOS2

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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