Tetrahydrofuran

Tetrahydrofuran

SCHEMBL9464982

C1CCOC1.CC(C)OC(C)C.CCO

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Tetrahydrofuran. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
Tetrahydrofuran SCHEMBL6793997 0.87 ALDH1A1 (0.44) ALDH1A1
Tetrahydrofuran SCHEMBL754746 0.87 ALDH1A1 (0.50) ALDH1A1
SCHEMBL6829599 0.85 ALDH1A1 (0.47) ALDH1A1
Hexane SCHEMBL9503581 0.84 LMNA (0.36) ALDH1A1
Tetrahydrofuran SCHEMBL10386650 0.82 ALDH1A1 (0.44) ALDH1A1
Tetrahydrofuran SCHEMBL30232 0.82
Tetrahydrofuran SCHEMBL8412489 0.82 ALDH1A1 (0.57) ALDH1A1
Alcohol SCHEMBL4270003 0.79 ALDH1A1 (0.53) ALDH1A1
Tetrahydrofuran SCHEMBL218583 0.79 ALDH1A1 (0.53) ALDH1A1
Tetrahydrofuran SCHEMBL28397015 0.79 ALDH1A1 (0.53) ALDH1A1

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-5182296-A Antidepressants TANABE SEIYAKY CO., LTD. (JP) 1993-01-26 US disclosed
US-4948800-A MUSCLE RELAXANTS; ANTICONVULSANTS; ANXIOLYTIC AGENTS; 3-HYDROXYALKYL-PYRIDO(4,5-B OR-C)IMIDAZOLE COMPOUNDS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-14 US disclosed
US-4873251-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANTIANXIETY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-10-10 US disclosed
EP-0255217-A1 Fused imidazoheterocyclic compounds A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-02-03 EP disclosed