Hexane

Hexane

SCHEMBL9503581

C1CCOC1.CC(C)OC(C)C.CCCCCC

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
CDC25A P30304 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
OPRM1 P35372 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 2/20 0.31
THRA P10827 1/20 0.31
EPHX1 P07099 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
Tetrahydrofuran SCHEMBL754746 0.85 ALDH1A1 (0.50) ALDH1A1
Tetrahydrofuran SCHEMBL9464982 0.84 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6829599 0.83 ALDH1A1 (0.47) ALDH1A1
Hexane SCHEMBL22134480 0.83 ALDH1A1 (0.53) LMNAALDH1A1MEN1KMT2ATSHR
Hexane SCHEMBL5237862 0.83 ALDH1A1 (0.53) LMNAALDH1A1MEN1KMT2ATSHR
Hexane SCHEMBL224276 0.83 ALDH1A1 (0.53) LMNAALDH1A1MEN1KMT2ATSHR
Hexane SCHEMBL14895621 0.83 ALDH1A1 (0.53) LMNAALDH1A1MEN1KMT2ATSHR
Hexane SCHEMBL3228334 0.81 ALDH1A1 (0.40) LMNAALDH1A1MEN1FAAHMAPK1
Tetrahydrofuran SCHEMBL6793997 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2
Heptane SCHEMBL538473 0.80 TSHR (0.50) LMNAALDH1A1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330380-B1 NOVEL INDANOXYACETIC ACID DERIVATIVES AND PROCESSES FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1993-06-23 EP disclosed
US-4975460-A INHIBITION OF PLATELET AGGREGATION TANABE SEIYAKU CO., LTD. (JP) 1990-12-04 US disclosed
EP-0330380-A2 Novel indanoxyacetic acid derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-08-30 EP disclosed