SCHEMBL28050487

SCHEMBL28050487

CCCCCCCCCCCCCCCC(=O)NCc1cc(=O)oc2cc(O)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
GAA P10253 3/20 0.62
ERAP1 Q9NZ08 1/20 0.62
HSD17B3 P37058 7/20 0.59
KDM4E B2RXH2 3/20 0.54
GLA P06280 2/20 0.54
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
AKR1B1 P15121 1/20 0.52
GRB2 P62993 1/20 0.52
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TRPV1 Q8NER1 4/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL20767987 0.84 HSD17B3 (0.56) ALDH1A1GAAERAP1HSD17B3KDM4E
SCHEMBL28212687 0.81 ALDH1A1 (0.68) ALDH1A1GAAERAP1HSD17B3KDM4E
SCHEMBL29558522 0.80 ALDH1A1 (0.89) ALDH1A1GAAERAP1HSD17B3KDM4E
SCHEMBL592465 0.80 ALDH1A1 (0.89) ALDH1A1GAAERAP1HSD17B3KDM4E
SCHEMBL18123944 0.80 TRPV1 (0.47) ALDH1A1GAAHSD17B3KDM4EGLA
SCHEMBL16197761 0.79 AKR1B1 (0.68) ALDH1A1GAAERAP1HSD17B3KDM4E
SCHEMBL20780147 0.79 ALDH1A1 (0.48) ALDH1A1GAAERAP1HSD17B3KDM4E
SCHEMBL24062584 0.78 ALDH1A1 (0.60) ALDH1A1GAAERAP1HSD17B3KDM4E
SCHEMBL13851556 0.76 HSD17B3 (0.54) ALDH1A1GAAERAP1HSD17B3KDM4E
SCHEMBL3762732 0.76 HSD17B3 (1.00) ALDH1A1GAAERAP1HSD17B3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111957453-B Method for improving accuracy and precision of drop metering using an on-actuator reservoir as a fluid input 先进流体逻辑公司 2022-08-19 CN disclosed
CN-111957453-A Method for improving accuracy and precision of drop metering using an on-actuator reservoir as a fluid input 先进流体逻辑公司 2020-11-20 CN disclosed
CN-105408728-B Method for improving accuracy and precision of drop metering using an on-actuator reservoir as a fluid input 先进流体逻辑公司 2020-09-11 CN disclosed
CN-108138229-A System and method for determining genetic characteristics using magnetically responsive sensors 亿明达股份有限公司 2018-06-08 CN disclosed
CN-107921432-A Improve the system and method for the droplet manipulation in flow control system 伊卢米纳剑桥有限公司 2018-04-17 CN disclosed
CN-105408728-A Method for improving accuracy and precision of drop metering using an on-actuator reservoir as a fluid input ADVANCED LIQUID LOGIC INC 2016-03-16 CN disclosed