SCHEMBL8611027

SCHEMBL8611027

Oc1c(-c2ccccc2)cccc1-c1ccccc1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.41
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
PTPN5 P54829 4/20 0.37
ALDH1A1 P00352 1/20 0.37
BACE1 P56817 1/20 0.36
HNF4A P41235 1/20 0.36
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL8611019 0.81 HSD17B10 (0.41) TACR1CNR2CNR1PTPN5ALDH1A1
SCHEMBL8610662 0.81 HNF4A (0.44) ALDH1A1BACE1HNF4AHDAC4HDAC2
SCHEMBL6251039 0.75 TSHR (0.42) TACR1CNR2CNR1ALDH1A1
SCHEMBL25060877 0.75 P2RX1 (0.43) TACR1CNR2CNR1PTPN5ALDH1A1
SCHEMBL29669727 0.74 ADORA2A (0.46) CNR2PTPN5ALDH1A1RORCRORB
SCHEMBL16311885 0.73 AR (0.44) TACR1CNR2CNR1PTPN5ALDH1A1
SCHEMBL8613773 0.73 P2RX1 (0.39) CNR2CNR1
SCHEMBL29163069 0.71 HNF4A (0.47) ALDH1A1BACE1HNF4AHDAC4HDAC2
SCHEMBL21040615 0.70 KIF11 (0.52) ALDH1A1BACE1
SCHEMBL9487300 0.70 HDAC4 (0.62) ALDH1A1BACE1HNF4AHDAC4HDAC2

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
US-5789623-A Process for the preparation of hydroxybiarylphosphines and novel compounds of this group of substances HOECHST AKTIENGESELLSCHAFT (DE) 1998-08-04 US disclosed
EP-0748811-A1 Process for the preparation of hydroxybiarylphosphanes and novel compounds from this materials group HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-18 EP disclosed