SCHEMBL10494103

SCHEMBL10494103

O=C(O)C(O)CCC#CCC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 5/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDE8B O95263 1/20 0.31
TP53 P04637 1/20 0.31
ALOX12 P18054 1/20 0.31
MGLL Q99685 1/20 0.30

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
SCHEMBL4888352 0.75 USP2 (0.41) ALDH1A1HPGDHTTLMNAPOLB
SCHEMBL1635831 0.72 KMT2A (0.35) ALDH1A1HPGDHTTLMNAPOLB
SCHEMBL1711904 0.70 USP2 (0.46) ALDH1A1HPGDHTTLMNAPOLB
SCHEMBL1711899 0.70 USP2 (0.46) ALDH1A1HPGDHTTLMNAPOLB
SCHEMBL1711900 0.70 USP2 (0.46) ALDH1A1HPGDHTTLMNAPOLB
SCHEMBL3199236 0.69
SCHEMBL18281703 0.68 ALDH1A1 (0.39) ALDH1A1HPGDHTTLMNAPOLB
SCHEMBL25662308 0.65 GRIN2D (0.38) ALDH1A1HPGDHTT
SCHEMBL25660587 0.65 GRIN2D (0.38) ALDH1A1HPGDHTT
Acetonitrile SCHEMBL27943294 0.65 USP2 (0.39) ALDH1A1HPGDLMNAPOLBUSP2

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
US-4873360-A Process for the preparation of cyclopentanoids and novel intermediates produced thereby BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1989-10-10 US disclosed