SCHEMBL3454035

SCHEMBL3454035

CC(C)(CO)CO.OCC1(CO)CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
CACNA2D1 P54289 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL14843450 1.00 USP2 (0.30) USP2ALDH1A1LMNACYP1A2TSHR
Methyl Alcohol SCHEMBL27831139 0.82 ALDH1A1 (0.36) USP2ALDH1A1LMNACYP1A2TSHR
Methyl Alcohol SCHEMBL28179853 0.82 ALDH1A1 (0.36) USP2ALDH1A1LMNACYP1A2TSHR
Cyclohexane SCHEMBL16390833 0.82 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5673171 0.82 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL15187 0.82 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL2022361 0.82 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
Cyclopentane SCHEMBL9063797 0.82 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL22444527 0.82 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL302071 0.82 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816462-B2 Method for laminating using special cross-linked carbodiimide groups BASF AKTIENGESELLSCHAFT (DE) 2010-10-19 US disclosed
US-20080103266-A1 Method for Laminating Using Special Cross-Linked Carbodiimide Groups BASF AKTIENGESELLSCHAFT (DE) 2008-05-01 US disclosed
US-20060037624-A1 Makeup or care kit for nails L'OREAL S.A. (FR) 2006-02-23 US disclosed
US-4518522-A DI-(ALKYL OR ALKOXYALKYL) MALONATES AND CONTAINING A STABILIZING MONOFUNCTIONAL REACTIVE COMPOUND MOBAY CHEMICAL CORPORATION (US) 1985-05-21 US disclosed