SCHEMBL7328569

SCHEMBL7328569

Cc1c(C)c(O)c(CCCCCC(=O)O)c(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
LMNA P02545 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
SCD O00767 1/20 0.46
IMPDH1 P20839 2/20 0.45
TBXA2R P21731 1/20 0.44
F13A1 P00488 3/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
GPR84 Q9NQS5 5/20 0.43
HDAC11 Q96DB2 5/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43

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
SCHEMBL9848754 0.92 HDAC11 (0.41) TSHRLMNANFKB1PMP22IMPDH1
SCHEMBL7330244 0.79 F13A1 (0.47) TSHRLMNANFKB1PMP22SCD
SCHEMBL7319898 0.79 F13A1 (0.47) TSHRLMNANFKB1PMP22SCD
SCHEMBL7329199 0.79 F13A1 (0.47) TSHRLMNANFKB1PMP22SCD
SCHEMBL8812768 0.79 TSHR (0.67) TSHRLMNANFKB1PMP22SCD
SCHEMBL12134619 0.75 TYR (0.48) LMNAALDH1A1ESR1HSD17B10
SCHEMBL14030867 0.75 TYR (0.48) LMNAALDH1A1ESR1HSD17B10
SCHEMBL10404966 0.74 GPR84 (0.74) TSHRLMNASCDMAPTPPARG
SCHEMBL10403682 0.74 GPR84 (0.74) TSHRLMNASCDMAPTPPARG
SCHEMBL10769705 0.73 F13A1 (0.53) TSHRLMNANFKB1PMP22SCD

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-4525361-A FOR PHYSIOLOGICAL HOST DEFENSE CONTROL ACTIVITY IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-06-25 US disclosed
US-4407757-A IMMUNOLOGY AGENT, MUSCLE RELAXANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-10-04 US disclosed
US-4271083-A IMMUNO-POTENTIATING ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-06-02 US disclosed
US-4139545-A IMMUNO-POTENTIATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-02-13 US disclosed