SCHEMBL30744747

SCHEMBL30744747

COC1CN(c2cc(C(=O)O)nc3ccccc23)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.57
NCF1 P14598 6/20 0.43
TTR P02766 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
RBP4 P02753 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL30744932 0.80 ALOX15 (0.47) ALOX15TTRMEN1KMT2ARBP4
SCHEMBL27665029 0.75 NCF1 (0.49) ALOX15NCF1MEN1KMT2AKDM4E
SCHEMBL5241851 0.75 NCF1 (0.64) ALOX15NCF1MEN1KMT2AMAPT
SCHEMBL316367 0.73 HPGD (0.45) TTRRBP4HPGD
SCHEMBL297225 0.73 ALOX15 (1.00) ALOX15MEN1KMT2AMAPTALDH1A1
SCHEMBL20943927 0.72 ALDH1A1 (0.45) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL28761381 0.72 CKS1B (0.57)
SCHEMBL31480075 0.71 TTR (0.47) ALOX15TTRKDM4E
SCHEMBL20944158 0.71 GABRA1 (0.52) MEN1KMT2AMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL3282592 0.70 KMT2A (0.47) ALOX15NCF1MEN1KMT2AALDH1A1

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
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed