SCHEMBL11042480

SCHEMBL11042480

CCC(C(=O)O)C(CO)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
HSD17B10 Q99714 1/20 0.44
HKDC1 Q2TB90 1/20 0.43
TRPA1 O75762 1/20 0.43
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
RIPK1 Q13546 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40

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
SCHEMBL1083717 0.89 HKDC1 (0.50) LMNAHSD17B10HKDC1CYP2D6SRC
SCHEMBL16616994 0.81 TSHR (0.53) LMNAKMT2APOLBMEN1MAPK1
SCHEMBL11050985 0.80 HKDC1 (0.46) LMNAHSD17B10HKDC1CYP2D6SRC
SCHEMBL13763093 0.79 HKDC1 (0.45) LMNAHSD17B10HKDC1CYP2D6SRC
SCHEMBL14360044 0.77 TBXAS1 (0.46) LMNAHSD17B10CYP2D6MAPK1ALDH1A1
SCHEMBL20291832 0.77 MME (0.56) LMNACYP2D6SRCKMT2AMEN1
SCHEMBL687445 0.77 LMNA (0.52) LMNACYP2D6SRCKMT2AMEN1
SCHEMBL7056950 0.77 LMNA (0.52) LMNACYP2D6SRCKMT2AMEN1
SCHEMBL585397 0.77 MME (0.56) LMNACYP2D6SRCKMT2AMEN1
SCHEMBL295743 0.77 LMNA (0.52) LMNACYP2D6SRCKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278234-B2 Encapsulated flavor and/or fragrance preparations SYMRISE AG (DE) 2016-03-08 US disclosed
US-4447600-A IMMUNOSUPPRESSIVE AGENTS KANTO ISHI PHARMACEUTICAL CO., LTD. (JP) 1984-05-08 US disclosed