SCHEMBL8969116

SCHEMBL8969116

CC(C)COC1CCCCCC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ACE P12821 1/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CTSC P53634 1/20 0.34
CTSF Q9UBX1 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
PEPD P12955 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL8969288 1.00 RAB9A (0.39) RAB9AMEN1ALDH1A1KMT2ATAAR1
SCHEMBL8969180 0.98 RAB9A (0.40) RAB9AMEN1ALDH1A1KMT2ATAAR1
SCHEMBL8970403 0.95 RAB9A (0.40) RAB9ATAAR1ACECTSVCTSL
SCHEMBL1270288 0.85 PEPD (0.36) ALDH1A1TAAR1ACEPEPD
SCHEMBL26725054 0.84 TSHR (0.36) RAB9AMEN1ALDH1A1KMT2ACTSV
SCHEMBL8970288 0.83 GPR88 (0.37) TAAR1
SCHEMBL8969008 0.83 GPR88 (0.37) TAAR1
SCHEMBL8970583 0.81 GPR88 (0.36) TAAR1
SCHEMBL26725056 0.81 TSHR (0.36) RAB9AMEN1ALDH1A1KMT2ACTSV
SCHEMBL8970049 0.80 SMN1; SMN2 (0.36) ALDH1A1PEPD

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
EP-0376294-B1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI LTD (JP) 1996-03-13 EP disclosed
US-5370821-A Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
US-5269965-A Optically active compounds, liquid crystal compositions comprising said compounds and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES (JP) 1993-12-14 US disclosed
EP-0376294-A1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI, LTD. (JP) 1990-07-04 EP disclosed