SCHEMBL9549092

SCHEMBL9549092

CCCCCCCCCCCCCCCCCC(=O)NCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.63
HDAC3 O15379 3/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
NCOR2 Q9Y618 3/20 0.60
HPGD P15428 1/20 0.58
DNM1 Q05193 2/20 0.56
FAAH O00519 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.53
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ASAH1 Q13510 1/20 0.51

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
SCHEMBL24412631 0.89 HPGD (0.66) EPHX2HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL11666142 0.86 GAA (0.57) EPHX2HDAC3HDAC1HDAC2HDAC8
SCHEMBL9320586 0.84 ACKR3 (0.64) EPHX2HPGDDNM1
SCHEMBL25228045 0.83 SIRT2 (0.57) EPHX2HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL9872490 0.83 ACKR3 (0.63) EPHX2HPGDDNM1
Hydrochloric Acid SCHEMBL27718505 0.83 ACKR3 (0.63) EPHX2HPGDDNM1
SCHEMBL8781086 0.83 MTNR1A (0.52) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL17101321 0.82 APP (0.53) EPHX2HDAC3HDAC1HDAC2HDAC8
SCHEMBL1456740 0.81 EPHX2 (0.80) EPHX2HDAC3HDAC1HDAC2HDAC8
SCHEMBL19043177 0.81 EPHX2 (0.80) EPHX2HDAC3HDAC1HDAC2HDAC8

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
EP-0288515-B1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS ISP INVESTMENTS INC. (US) 1993-05-05 EP disclosed
US-4837013-A VISCOSITY ENHANCING AND HAIR CONDITIONING PROPERTIES GAF CORPORATION (US) 1989-06-06 US disclosed