SCHEMBL5601494

SCHEMBL5601494

C1=C(n2cccc2)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KDM1A O60341 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
SCHEMBL5602957 0.98 MAPK1 (0.32) LMNAMAPT
SCHEMBL5603589 0.98 MAPK1 (0.32) LMNAMAPT
SCHEMBL5602657 0.98 MAPK1 (0.32) LMNAMAPT
SCHEMBL5601172 0.98 MAPK1 (0.32) LMNAMAPT
SCHEMBL5600749 0.93 LMNA (0.37) LMNAMAPT
SCHEMBL2073935 0.73 CYP11B2 (0.42) LMNAMAPTALDH1A1
SCHEMBL11815703 0.70 MAPT (0.43) LMNAMAPTALDH1A1KDM1A
SCHEMBL5718185 0.70
SCHEMBL29780367 0.68 MAPT (0.37) LMNAMAPTALDH1A1KDM1A
SCHEMBL497034 0.68 MAPT (0.37) LMNAMAPTALDH1A1HPGDKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
CN-103288710-A Preparation method of trandolapril midbody (2S, 3aR, 7aS)-octahydro-1H-indole-2-carboxylic acid DALIAN HAIRONG TECHNOLOGY DEV CO LTD 2013-09-11 CN disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed
EP-0248393-B1 METHOD FOR THE PREPARATION OF ACYLATED HETEROAROMATICS AT ZEOLITHIC CATALYSTS BASF Aktiengesellschaft (DE) 1991-08-07 EP disclosed