SCHEMBL8613773

SCHEMBL8613773

Oc1ccc2ccccc2c1-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 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RX4 Q99571 1/20 0.39
P2RX7 Q99572 1/20 0.39
NSD2 O96028 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
HSP90AA1 P07900 10/20 0.36
HSP90AB1 P08238 9/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL8611244 0.87 P2RX1 (0.41) P2RX1P2RX3P2RX4P2RX7NSD2
SCHEMBL8615377 0.85 P2RX1 (0.39) P2RX1P2RX3P2RX4P2RX7NSD2
SCHEMBL8611516 0.81 NSD2 (0.44) NSD2OPRM1OPRD1HKDC1HSP90AA1
SCHEMBL2229892 0.81 P2RX1 (0.40) P2RX1P2RX3P2RX4P2RX7CNR1
SCHEMBL30391892 0.81 P2RX1 (0.40) P2RX1P2RX3P2RX4P2RX7CNR1
SCHEMBL5083753 0.81 P2RX1 (0.36) P2RX1P2RX3P2RX4P2RX7CNR2
SCHEMBL8611708 0.79 HSP90AA1 (0.49) NSD2OPRM1OPRD1HKDC1HSP90AA1
SCHEMBL8611019 0.78 HSD17B10 (0.41) P2RX1P2RX4P2RX7CNR1CNR2
Dimethylamine SCHEMBL8611687 0.76 HSP90AA1 (0.41) NSD2OPRM1OPRD1HKDC1HSP90AA1
SCHEMBL30616088 0.75 KCNQ3 (0.34) P2RX1P2RX3P2RX4P2RX7CNR2

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