SCHEMBL18342995

SCHEMBL18342995

O=C(NCCCc1ccccc1)C1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.63
ALDH1A1 P00352 4/20 0.62
USP2 O75604 1/20 0.62
HPGD P15428 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 1/20 0.60
ALOX12 P18054 1/20 0.60
RECQL P46063 1/20 0.60
TAAR1 Q96RJ0 2/20 0.58
FKBP1A P62942 4/20 0.58
EPHX2 P34913 3/20 0.57
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.57
RAB9A P51151 1/20 0.57
CYP2C19 P33261 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TSHR P16473 1/20 0.56

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
SCHEMBL5815460 0.98 EPHX1 (0.66) EPHX1ALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL28499155 0.94 MTNR1A (0.61) EPHX1ALDH1A1USP2HPGDEPHX2
SCHEMBL3392745 0.89 ALDH1A1 (0.74) EPHX1ALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL13138659 0.89 ALDH1A1 (0.74) EPHX1ALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL12420662 0.87 MTNR1A (0.56) EPHX1ALDH1A1HPGDNPC1RAB9A
SCHEMBL17117245 0.87 POLB (0.59) EPHX1ALDH1A1HPGDNPC1RAB9A
SCHEMBL13746185 0.84 CYP2C19 (0.62) ALDH1A1HPGDLMNAFKBP1ACYP2C19
SCHEMBL23417495 0.83 CYP2C19 (0.68) ALDH1A1USP2HPGDSMN1; SMN2LMNA
SCHEMBL26109813 0.82 KMT2A (0.56) EPHX1ALDH1A1HPGDFKBP1ACYP2C19
SCHEMBL26110422 0.82 KMT2A (0.56) EPHX1ALDH1A1HPGDFKBP1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016209926-A1 CANCERS EXPRESSING CCR5 AND METHODS OF TREATMENT OF SAME THOMAS JEFFERSON UNIVERSITY (US) 2016-12-29 WO claimed